SCHEMBL287161

SCHEMBL287161

CC(C)NC(=O)CN1C=CCC(C(=O)NNC(=O)C2=CN(CC(=O)NC(C)C)C=CC2)=C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 3/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 6/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL286793 0.89 KMT2A (0.37) CHRM5CHRM3KMT2AMEN1KDM4E
SCHEMBL658611 0.68 CA12 (0.32) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL27605542 0.65 CHRM5 (0.43) CHRM5CHRM3KMT2AMEN1KDM4E
SCHEMBL7800030 0.65 KMT2A (0.39) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5534141 0.63 CHRM5 (0.41) CHRM5CHRM3KMT2AMEN1KDM4E
SCHEMBL15386866 0.62 KMT2A (0.56) CHRM5CHRM3KMT2AMEN1KDM4E
SCHEMBL27573159 0.61 KMT2A (0.37) CHRM5CHRM3KMT2AMEN1KDM4E
SCHEMBL23464917 0.60 CHRM5 (0.75) CHRM5CHRM3KMT2AMEN1KDM4E
SCHEMBL24170865 0.60 ALOX5 (0.39) KMT2AALDH1A1L3MBTL1NPC1GAA
SCHEMBL7721235 0.59 CHRM5 (0.72) CHRM5CHRM3KMT2AMEN1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO disclosed